==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER INHIBITOR 01-DEC-04 2BEY . COMPND 2 MOLECULE: BIKK; . SOURCE 2 SYNTHETIC: YES . AUTHOR A.M.JAULENT,A.B.E.BRAUER,S.J.MATTHEWS,R.J.LEATHERBARROW . 16 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1801.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 3 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 1 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A a 0 0 56 0, 0.0 8,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 162.7 -1.4 -1.1 0.2 2 2 A T - 0 0 88 6,-0.7 2,-0.4 14,-0.3 7,-0.0 -0.423 360.0 -99.8 -86.1 164.1 -4.7 -2.5 1.6 3 3 A K S S+ 0 0 215 -2,-0.1 2,-0.2 4,-0.1 -1,-0.1 0.038 88.4 111.2 -75.7 29.7 -7.9 -3.6 -0.3 4 4 A S S S- 0 0 53 -2,-0.4 0, 0.0 4,-0.1 0, 0.0 -0.534 73.5 -99.5-100.1 170.1 -9.5 -0.2 0.5 5 5 A I S S+ 0 0 167 1,-0.4 -2,-0.1 -2,-0.2 3,-0.0 -0.950 120.9 26.7-131.6 103.7 -10.4 3.0 -1.5 6 6 A P S S- 0 0 109 0, 0.0 -1,-0.4 0, 0.0 -4,-0.1 0.347 103.9-146.4 -72.5 129.7 -8.3 5.1 -1.1 7 7 A P - 0 0 68 0, 0.0 2,-0.5 0, 0.0 -4,-0.1 -0.407 9.1-135.0 -65.3 142.9 -5.7 2.3 -0.5 8 8 A I - 0 0 137 -2,-0.1 -6,-0.7 -3,-0.0 2,-0.3 -0.906 22.1-165.1-104.8 123.2 -3.0 3.3 2.1 9 9 A a - 0 0 66 -2,-0.5 2,-0.1 -8,-0.2 0, 0.0 -0.868 14.2-130.6-109.0 135.7 0.7 2.4 1.2 10 10 A T - 0 0 92 6,-1.1 2,-0.8 -2,-0.3 6,-0.0 -0.327 37.2-101.8 -76.7 164.8 4.0 2.2 3.3 11 11 A K S S+ 0 0 211 4,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.142 86.1 118.0 -82.7 39.8 7.3 3.9 2.1 12 12 A S - 0 0 50 -2,-0.8 -3,-0.0 4,-0.1 0, 0.0 -0.564 69.0 -96.7-100.0 163.4 8.5 0.5 0.9 13 13 A I S S+ 0 0 170 1,-0.4 -2,-0.1 -2,-0.2 3,-0.0 -0.955 119.3 21.2-133.8 111.8 9.5 -0.8 -2.6 14 14 A P S S- 0 0 114 0, 0.0 -1,-0.4 0, 0.0 -2,-0.0 0.438 109.1-138.6 -69.6 134.9 7.4 -2.3 -4.1 15 15 A P 0 0 73 0, 0.0 -4,-0.1 0, 0.0 -2,-0.1 -0.306 360.0 360.0 -64.9 150.1 4.9 -0.5 -1.7 16 16 A I 0 0 132 -6,-0.0 -6,-1.1 -3,-0.0 -14,-0.3 -0.957 360.0 360.0-116.2 360.0 2.1 -2.6 -0.2